*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 4 3 RMSD = 0.73 A TRANSFORM -0.4375 0.2315 -0.8689 0.5247 -0.7190 -0.4557 0.7302 0.6553 -0.1931 90.086 20.177 -25.632 105 GLU A 52 GLU~? 107 ASP A 56 ASP~? 109 GLU A 34 GLU~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 4 3 RMSD = 0.83 A TRANSFORM 0.2174 -0.8935 -0.3930 0.5768 0.4424 -0.6867 -0.7874 0.0774 -0.6115 44.684 142.088 71.390 A 85 GLU A 52 GLU~? A 87 ASP A 56 ASP~? A 89 GLU A 34 GLU~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 9 3 RMSD = 0.84 A TRANSFORM 0.4632 0.2030 0.8627 -0.5491 -0.6983 0.4592 -0.6957 0.6864 0.2120 -36.235 32.997 29.536 105 GLU B 52 GLU~? 107 ASP B 56 ASP~? 109 GLU B 34 GLU~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 3 3 RMSD = 0.84 A TRANSFORM 0.4847 -0.5508 -0.6795 0.4898 0.8146 -0.3109 -0.7247 0.1821 -0.6646 39.808 160.839 81.934 B 85 GLU A 52 GLU~? B 87 ASP A 56 ASP~? B 89 GLU A 34 GLU~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 10 3 RMSD = 0.92 A TRANSFORM -0.2547 -0.8840 0.3919 -0.5382 0.4663 0.7020 0.8034 0.0321 0.5946 32.377 135.684 -66.336 A 85 GLU B 52 GLU~? A 87 ASP B 56 ASP~? A 89 GLU B 34 GLU~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 9 3 RMSD = 0.93 A TRANSFORM -0.4974 -0.5304 0.6865 -0.4396 0.8363 0.3276 0.7479 0.1388 0.6492 27.141 179.695 -54.608 B 85 GLU B 52 GLU~? B 87 ASP B 56 ASP~? B 89 GLU B 34 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.14 A TRANSFORM -0.6476 0.6491 -0.3992 -0.1236 -0.6064 -0.7855 0.7519 0.4594 -0.4729 73.977 113.078 55.178 A 50 GLN B 69 GLN~? A 91 LEU B 76 LEU~? A 133 GLU B 10 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 RMSD = 1.16 A TRANSFORM -0.1740 -0.1076 0.9789 -0.2456 0.9673 0.0627 0.9536 0.2295 0.1947 14.191 6.838 -35.149 A 67 ASP B 60 ASP~? A 68 ALA B 30 ALA~? A 72 LEU B 27 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.19 A TRANSFORM 0.1641 -0.1034 -0.9810 0.2174 0.9738 -0.0662 -0.9622 0.2024 -0.1823 87.399 -11.154 81.593 A 67 ASP A 60 ASP~? A 68 ALA A 30 ALA~? A 72 LEU A 27 LEU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.19 A TRANSFORM 0.6268 0.6804 0.3798 0.1763 -0.5985 0.7815 -0.7590 0.4229 0.4951 -28.538 24.735 89.168 A 50 GLN A 69 GLN~? A 91 LEU A 76 LEU~? A 133 GLU A 10 GLU.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.20 A TRANSFORM -0.7830 -0.5851 -0.2114 0.4786 -0.7836 0.3961 0.3974 -0.2090 -0.8935 97.270 17.355 104.269 A 50 GLN B 69 GLN~? A 91 LEU B 76 LEU~? A 133 GLU B 10 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.20 A TRANSFORM -0.1737 -0.9580 0.2283 0.8683 -0.0396 0.4944 0.4646 -0.2841 -0.8387 80.357 -26.622 76.318 C1050 GLN B 69 GLN~? C1091 LEU B 76 LEU~? C1133 GLU B 10 GLU~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 10 3 RMSD = 1.22 A TRANSFORM 0.0653 0.5528 0.8307 -0.7559 -0.5161 0.4029 -0.6515 0.6542 -0.3842 -19.656 42.901 50.415 105 GLU B 53 GLU~? 107 ASP B 56 ASP~? 109 GLU B 34 GLU~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 3 3 RMSD = 1.22 A TRANSFORM 0.1079 0.9915 0.0730 0.9896 -0.1142 0.0878 -0.0954 -0.0628 0.9935 -4.982 -31.720 17.186 A 197 ASP B 56 ASP~? A 233 GLU B 37 GLU~? A 300 ASN B 49 ASN~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.25 A TRANSFORM 0.8169 -0.5457 0.1867 -0.4512 -0.8063 -0.3824 -0.3592 -0.2281 0.9049 -4.714 101.854 60.362 A 50 GLN A 69 GLN~? A 91 LEU A 76 LEU~? A 133 GLU A 10 GLU.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.25 A TRANSFORM -0.3183 -0.4337 -0.8430 -0.9037 -0.1297 0.4080 0.2862 -0.8917 0.3506 123.597 67.117 38.403 C1050 GLN A 81 GLN~? C1091 LEU B 5 LEU~? C1133 GLU A 77 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.25 A TRANSFORM 0.2137 -0.9483 -0.2347 -0.8800 -0.0826 -0.4678 -0.4242 -0.3065 0.8521 81.491 109.180 44.286 C1050 GLN A 69 GLN~? C1091 LEU A 76 LEU~? C1133 GLU A 10 GLU.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.26 A TRANSFORM -0.4970 0.6481 -0.5771 0.6555 0.7161 0.2397 -0.5686 0.2591 0.7807 127.671 -8.287 31.700 B 550 GLN B 69 GLN~? B 591 LEU B 76 LEU~? B 633 GLU B 10 GLU~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.3229 0.0174 0.9463 -0.9010 0.3002 -0.3130 0.2896 0.9537 0.0813 -12.865 243.636 -24.533 B 85 GLU A 34 GLU~? B 87 ASP A 56 ASP~? B 89 GLU A 52 GLU~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.1388 0.9893 -0.0441 -0.9861 -0.1422 -0.0862 0.0916 -0.0315 -0.9953 12.855 78.766 99.276 A 197 ASP A 56 ASP~? A 233 GLU A 37 GLU~? A 300 ASN A 49 ASN~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 5 3 RMSD = 1.28 A TRANSFORM -0.0981 0.5303 -0.8421 0.7557 -0.5108 -0.4098 0.6475 0.6766 0.3507 66.530 2.434 -50.760 105 GLU A 53 GLU~? 107 ASP A 56 ASP~? 109 GLU A 34 GLU~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.1381 -0.2008 0.9699 -0.8908 0.4028 0.2102 0.4328 0.8930 0.1232 -34.957 173.549 -46.394 A 85 GLU A 34 GLU~? A 87 ASP A 56 ASP~? A 89 GLU A 52 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.31 A TRANSFORM 0.4816 0.6722 0.5624 -0.6970 0.6827 -0.2191 0.5312 0.2865 -0.7973 23.881 83.629 47.493 B 550 GLN A 69 GLN~? B 591 LEU A 76 LEU~? B 633 GLU A 10 GLU.? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 6 3 RMSD = 1.34 A TRANSFORM 0.2943 0.0198 -0.9555 0.9247 0.2465 0.2900 -0.2413 0.9689 -0.0542 42.947 121.742 9.705 B 85 GLU B 34 GLU~? B 87 ASP B 56 ASP~? B 89 GLU B 52 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.37 A TRANSFORM -0.6753 0.0634 -0.7348 0.2145 -0.9364 -0.2778 0.7057 0.3452 -0.6187 116.420 13.027 -8.883 A 67 ASP A 71 ASP~? A 68 ALA A 68 ALA~? A 72 LEU B 50 LEU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 22 3 RMSD = 1.37 A TRANSFORM 0.0122 -0.8680 0.4964 0.1432 0.4928 0.8583 0.9896 -0.0606 -0.1303 25.660 -33.812 -28.952 A 229 ALA B 65 ALA~? A 257 ALA B 68 ALA~? A 328 ASP B 75 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.37 A TRANSFORM 0.0164 -0.8597 -0.5106 -0.1517 0.5026 -0.8511 -0.9883 -0.0914 0.1221 71.837 60.405 61.906 A 229 ALA A 65 ALA~? A 257 ALA A 68 ALA~? A 328 ASP A 75 ASP~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 7 3 RMSD = 1.37 A TRANSFORM -0.1791 -0.1733 -0.9685 0.9042 0.3591 -0.2314 -0.3878 0.9171 -0.0924 70.652 101.469 6.467 A 85 GLU B 34 GLU~? A 87 ASP B 56 ASP~? A 89 GLU B 52 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.38 A TRANSFORM -0.4546 -0.5813 -0.6748 -0.2663 0.8117 -0.5198 -0.8500 0.0566 0.5238 111.459 41.042 41.296 A 67 ASP A 60 ASP~? A 68 ALA A 30 ALA~? A 72 LEU A 28 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.39 A TRANSFORM 0.4732 -0.5609 0.6794 0.2304 0.8231 0.5191 0.8503 0.0891 -0.5187 0.713 -32.926 1.355 A 67 ASP B 60 ASP~? A 68 ALA B 30 ALA~? A 72 LEU B 28 LEU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.40 A TRANSFORM -0.8503 -0.4401 -0.2887 0.5244 -0.6620 -0.5354 -0.0445 0.6067 -0.7937 59.508 24.085 41.401 141 ASP B 71 ASP~? 166 GLY A 55 GLY~? 169 GLU B 85 GLU~? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.40 A TRANSFORM 0.1490 -0.3808 0.9126 0.7464 -0.5620 -0.3564 -0.6486 -0.7343 -0.2005 27.561 18.326 19.690 233 ASN B 49 ASN~? 457 GLY B 55 GLY~? 459 GLU B 51 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 9 3 RMSD = 1.41 A TRANSFORM 0.6567 0.0406 0.7530 -0.1895 -0.9576 0.2169 -0.7299 0.2851 0.6212 -21.348 11.805 8.483 A 67 ASP B 71 ASP~? A 68 ALA B 68 ALA~? A 72 LEU A 50 LEU~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 1 3 RMSD = 1.41 A TRANSFORM 0.0102 0.9734 0.2290 -0.2125 -0.2216 0.9517 -0.9771 0.0583 -0.2046 -4.431 -23.339 76.196 105 GLU A 34 GLU~? 107 ASP A 56 ASP~? 109 GLU A 52 GLU~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.42 A TRANSFORM -0.1445 -0.3672 -0.9189 -0.7244 -0.5934 0.3510 0.6741 -0.7163 0.1802 127.348 61.994 -66.324 233 ASN A 49 ASN~? 457 GLY A 55 GLY~? 459 GLU A 51 GLU~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 5 3 RMSD = 1.43 A TRANSFORM -0.8465 0.0754 0.5271 0.3494 -0.6683 0.6567 -0.4017 -0.7401 -0.5393 27.366 -11.833 62.271 I 303 TYR B 72 TYR~? I 306 VAL B 67 VAL~? I 308 VAL B 64 VAL~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.44 A TRANSFORM 0.8704 -0.3928 0.2969 -0.4907 -0.6419 0.5892 0.0408 0.6585 0.7515 -57.013 24.739 -35.567 141 ASP A 71 ASP~? 166 GLY B 55 GLY~? 169 GLU A 85 GLU~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.44 A TRANSFORM 0.8383 0.1067 -0.5346 -0.3377 -0.6683 -0.6628 0.4280 -0.7362 0.5242 -10.940 84.793 -29.952 I 303 TYR A 72 TYR~? I 306 VAL A 67 VAL~? I 308 VAL A 64 VAL~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.46 A TRANSFORM 0.6065 0.5535 0.5708 0.7625 -0.6083 -0.2203 -0.2253 -0.5688 0.7910 -5.838 -24.897 13.443 A 67 ASP B 46 ASP~? A 68 ALA B 48 ALA~? A 72 LEU B 47 LEU~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 11 3 RMSD = 1.47 A TRANSFORM -0.4647 -0.7003 0.5419 -0.7500 0.6366 0.1796 0.4707 0.3230 0.8210 34.550 163.816 -62.038 A 85 GLU B 53 GLU~? A 87 ASP B 56 ASP~? A 89 GLU B 34 GLU~? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 1.48 A TRANSFORM -0.0739 0.9956 0.0582 0.5179 0.0882 -0.8509 0.8522 0.0328 0.5221 43.621 48.034 -57.842 C 147 GLU A 36 GLU~? C 156 GLU B 25 GLU~? C 194 ASN A 49 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 7 3 RMSD = 1.48 A TRANSFORM 0.0622 0.9968 -0.0506 -0.5192 0.0756 0.8513 -0.8524 0.0266 -0.5222 41.638 23.109 78.715 C 147 GLU B 36 GLU~? C 156 GLU A 25 GLU~? C 194 ASN B 49 ASN~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 10 3 RMSD = 1.49 A TRANSFORM -0.7806 -0.2931 0.5520 -0.4818 0.8447 -0.2329 0.3980 0.4478 0.8007 43.055 202.953 -46.800 B 85 GLU B 53 GLU~? B 87 ASP B 56 ASP~? B 89 GLU B 34 GLU~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 5 3 RMSD = 1.50 A TRANSFORM 0.9655 -0.1863 -0.1819 0.0796 0.8764 -0.4750 -0.2479 -0.4441 -0.8610 -21.140 9.319 100.242 111 GLN A 81 GLN~? 294 GLU B 51 GLU~? 304 ARG B 4 ARG~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 6 3 RMSD = 1.50 A TRANSFORM 0.0402 0.9766 -0.2114 0.1660 -0.2152 -0.9624 0.9853 -0.0036 0.1708 14.930 45.214 -42.382 105 GLU B 34 GLU~? 107 ASP B 56 ASP~? 109 GLU B 52 GLU~?